[PDF] Pharmacophores and Pharmacophore Searches Langer T., Hoffmann R.D.

Content: Pharmacophores : historical perspective and viewpoint from a medicinal chemist / Camille G. Wermuth — Pharmacophore model generation software tools / Konstantin Poptodorov, Tien Luu, Re?my D. Hoffmann — Alignment-free pharmacophore patterns, a correlation-vector approach / Steffen Renner, Uli Fechner, Gisbert Schneider — Feature trees : theory and applications from large-scale virtual screening to data analysis / Matthias Rarey, Sally Hindle, Patrick Maass, Gu?nther Metz, Christian Rummey, Marc Zimmermann — Concept and applications of pseudoreceptors / Klaus-Ju?rgen Schleifer — Pharmacophores from macromolecular complexes with LigandScout / Gerhard Wolber, Robert Kosara — Grid-based pharmacophore models : concept and application examples / Francesco Ortuso, Stefano Alcaro, Thierry Langer — Hot spot analysis of protein-binding sites as a prerequisite for structure-based virtual screening and lead optimization / Ruth Brenk, Gerhard Klebe — Application of pharmacophore fingerprints to structure-based design and data mining / Prabha Karnachi, Amit Kulkarni — SIFt : analysis, organization and database mining for protein-inhibitor complexes. Application to protein kinase inhibitors / Juswinder Singh, Zhan Deng, Claudio Chuaqui — Application of structure-based alignment methods for 3D QSAR analyses / Wolfgang Sippl — Application of pharmacophore models in medicinal chemistry / Fabrizio Manetti, Maurizio Botta, Andrea Tafi — GPCR anti-target modeling : pharmacophore models to avoid GPCR-mediated side-effects / Thomas Klabunde — Pharmacophores for human ADME/Tox-related proteins / Cheng Chang, Sean Ekins — Are you sure you have a good model? / Nicolas Triballeau, Hugues-Olivier Bertrand, Francine Acher